[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Openeye Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone IUPAC Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: (1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-23-13-7-10-20(23)21-9-4-3-5-14-24(21)22(26)18-11-12-19-17(16-18)8-6-15-25(19)29(2,27)28/h7,10-13,16,21H,3-6,8-9,14-15H2,1-2H3